SCHEMBL5873375

SCHEMBL5873375

CC(C)(C)C(N)C(=O)NCCS

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.42
PTGS1 P23219 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 2/20 0.34
TSHR P16473 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
KCNH2 Q12809 1/20 0.33
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
RRM1 P23921 1/20 0.32
ECE1 P42892 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5873393 1.00 DPP4 (0.42) DPP4PTGS1ALDH1A1MAPTUSP2
SCHEMBL5873373 1.00 DPP4 (0.42) DPP4PTGS1ALDH1A1MAPTUSP2
SCHEMBL1337609 0.82 USP2 (0.50) DPP4PTGS1ALDH1A1MAPTUSP2
SCHEMBL1337607 0.82 USP2 (0.50) DPP4PTGS1ALDH1A1MAPTUSP2
SCHEMBL4128357 0.81 DPP4 (0.40) DPP4ALDH1A1USP2TSHRANPEP
SCHEMBL7887577 0.81 DPP4 (0.40) DPP4ALDH1A1USP2TSHRANPEP
SCHEMBL13688874 0.80 DPP4 (0.42) DPP4PTGS1USP2TSHRDPP7
Hydrochloric Acid SCHEMBL1219006 0.80 USP2 (0.48) DPP4PTGS1ALDH1A1MAPTUSP2
SCHEMBL13688877 0.80 DPP4 (0.42) DPP4PTGS1ALDH1A1MAPTUSP2
SCHEMBL12884760 0.80 DPP4 (0.42) DPP4PTGS1USP2TSHRDPP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045360-B2 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-05-16 US disclosed
US-20020090728-A1 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-07-11 US disclosed
WO-2001057526-A1 METHOD FOR ANALYSIS OF REACTION PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-08-09 WO disclosed